Abstract
Pyrene :
p
-benzoquinone (C
16
H
10
:C
6
H
4
O
2
) crystallizes in the tetragonal system, with cell constants
a
= 7.698(2),
c
= 25.570(5) Å, space group
P
4
1
and four formula units per unit cell. The structure was solved by direct methods and refined to an
R
value of 0.048 for 778 observed reflexions. The pyrene and
p
-benzoquinone molecules are arranged alternately in mixed stacks, with interplanar spacing of 3.49 Å and an angle of 1.1° between molecular planes. The mixed stacks are arranged in sheets parallel to (001), successive sheets being related by the 4
1
axis. This type of arrangement of mixed stacks has not been encountered previously among
π
-molecular compounds. Neither the stacks nor their arrangement are centrosymmetric; as the component molecules are both centrosymmetric this constitutes a second unusual feature of this crystal structure.
Reference29 articles.
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